N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C(C)(C)C

InChI

InChI=1S/C24H34N4O/c1-18-16-20(24(3,4)5)17-19(2)21(18)9-11-26-23(29)28-14-12-27(13-15-28)22-8-6-7-10-25-22/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,26,29)/p+1